methyl 6-[5-[(ethanethioylamino)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 6-[5-[(ethanethioylamino)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: methyl 6-[5-[(ethanethioylamino)methyl]-2-oxo-oxazolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[2-oxo-5-[(1-sulfanylideneethylamino)methyl]-3-oxazolidinyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-[2-keto-5-[(thioacetylamino)methyl]oxazolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NCC1CN(C(=O)O1)C2=CC3=C(CN(CC3)C(=O)OC)C=C2

Isomeric SMILES

CC(=S)NCC1CN(C(=O)O1)C2=CC3=C(CN(CC3)C(=O)OC)C=C2

InChI

InChI=1S/C17H21N3O4S/c1-11(25)18-8-15-10-20(17(22)24-15)14-4-3-13-9-19(16(21)23-2)6-5-12(13)7-14/h3-4,7,15H,5-6,8-10H2,1-2H3,(H,18,25)